N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

C13H17FN2S — CID 135934567

IUPACN-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCc2ccc(F)cc2)N1
InChIInChI=1S/C13H17FN2S/c1-13(2)9-17-12(16-13)15-8-7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyLGJIHCRVZBNJOF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.84
Rot. Bonds3

About N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine

N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 135934567) has the molecular formula C13H17FN2S and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
PubChem CID135934567
Molecular FormulaC13H17FN2S
Molecular Weight252.36 g/mol
Exact Mass252.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCc2ccc(F)cc2)N1
InChIInChI=1S/C13H17FN2S/c1-13(2)9-17-12(16-13)15-8-7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,16)
InChIKeyLGJIHCRVZBNJOF-UHFFFAOYSA-N
XLogP2.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 135934558
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
N-[2-(4-fluorophenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934566
4,4-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazolidin-2-imine
CID 137011046
3-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropan-1-amine
CID 135934621
N-[1-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]propan-2-yl]-N-methylcyclopropanamine
CID 136666975
4,4-dimethyl-N-(pyridazin-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136703330
4,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135968720
1-(3-chloro-4-methylpentyl)-4-fluorobenzene
CID 63460750
4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
CID 137011012
lithium 2-(4-fluorophenyl)ethanolate
CID 101196561
1-(2-azidoethyl)-4-fluorobenzene
CID 59667428

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine (CID 135934567) is N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CCc2ccc(F)cc2)N1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is LGJIHCRVZBNJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2S/c1-13(2)9-17-12(16-13)15-8-7-10-3-5-11(14)6-4-10/h3-6H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine?
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 252.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4,4-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).